Normal Mode analysis of GFP using ONIOM (partition 3)
收藏Figshare2013-08-22 更新2026-04-29 收录
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Normal Mode Analysis of A specices of Green Fluroescent Protein (GFP) computed using ONIOM-ME(B3LYP/6-31+G(d):AMBER) and ONIOM-EE(B3LYP/6-31+G(d):AMBER) along with vibrational transition dipole vectors for each mode. The S0-->S1 electronic transition dipole is computed with ONIOM-ME(TD-B3LYP/6-31+G(d):AMBER) and ONIOM-EE(TD-B3LYP/6-31+G(d):AMBER). Model region includes chromophore and first hydrogen bonding shell and proton transfer wire
创建时间：
2013-08-22
